Three-Dimensional Analysis of Materials at Multiple Length Scales.
Abstract not provided.
Sugar, Joshua Daniel↗
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SCALE Analyses for Inventory and Reactivity Analysis as Part of the Hermes 2021 PSAR Review
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Bostelmann, Rike [ORNL] (ORCID:0000000165968088)↗
Description and Use of SCALE Sampler Parametric Capability for Engineering Analysis and Optimization [Slides]
Abstract not provided.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Local-Scale Framework for Techno-Economic Analysis of Subsurface Hydrogen Storage
The energy sector is evolving toward increased reliance on renewable energy technologies to meet state, national, and organization decarbonization goals. This trend is creating challenges and opportunities with meeting current and future energy demand under the variable supply conditions that most renewables provide. Hydrogen (H 2 ) is a promising energy carrier that may meet the need for both on-demand and long-duration storage to maintain energy security and resilience. Underground hydrogen storage (UHS) is a method of storing H 2 in subsurface geological systems, such as depleted hydrocarbon reservoirs, salt caverns, saline aquifers, hard rock, and other engineered systems. UHS has the potential to store large quantities of H 2 over time, providing a reliable source of energy while minimizing surface footprints at a lower investment cost compared to surface storage. Earlier work estimated that, if converted and retrofitted, existing underground natural gas storage (UGS) facilities in the U.S. can store approximately 327 TWh, or 9.8 million metric tons, of pure H 2 . However, a shift to pure H 2 would decrease the collective working-gas energy of the UGS facilities by approximately 75% due to physical and chemical differences between natural gas and hydrogen. The same work also suggests that almost 75% of the existing UGS facilities in the U.S. could maintain current energy demand buffering using a blend of only 20% H 2 to 80% natural gas, by volume at surface conditions. If we can take advantage of the suite of mature technologies of existing UGS facilities and natural gas utility systems to accelerate the transition to a hydrogen economy in the U.S., a 20% H 2 blend could lead to a 6-7% reduction of greenhouse gas emissions for energy delivered through natural gas utility systems.
03 NATURAL GAS↗
Transport Analysis & Optimization in a MW-Scale CO2 Electrolyzer (Final Report)
As Twelve continues to scale up their CO2 electrolyzers, both in the size of a single cell and in the number of cells used in a stack, thermal management becomes a growing concern, since excess heat can affect reaction yield and accelerate degradation. In this project, we aim to computationally explore how the anode flow fields used in Twelve’s CO2 electrolyzers function as heat exchangers. In particular, using a homogenized model of a CO2 electrolyzer, we first estimate the amount of heat generated in a cell. Then, we develop a computational fluid dynamics (CFD) model of the so-called “flow field”, i.e. a flow manifold, based on Twelve’s CAD drawings, to evaluate how these flow fields perform as a heat exchanger for the generated heat. We explore both a single cell and a 3-cell stack operating in parallel, where heat generated in one cell can now be transferred to another cell. We evaluate how performance is affected when environmental heat losses are taken into account. Finally, we leverage topology optimization to explore the types of design features a computational optimization algorithm would suggest to supplement our intuition. Overall, our work aims to provide design recommendations for CO2 electrolyzer flow fields and provides a foundation for future studies of flow field optimization.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Evaluating proteome allocation of Saccharomyces cerevisiae phenotypes with resource balance analysis
Saccharomyces cerevisiae is an important model organism and a workhorse in bioproduction. Here, we reconstructed a compact and tractable genome-scale resource balance analysis (RBA) model (i.e., named scRBA) to analyze metabolic fluxes and proteome allocation in a computationally efficient manner. Resource capacity models such as scRBA provide the quantitative means to identify bottlenecks in biosynthetic pathways due to enzyme, compartment size, and/or ribosome availability limitations. ATP maintenance rate and in vivo apparent turnover numbers (k app ) were regressed from metabolic flux and protein concentration data to capture observed physiological growth yield and proteome efficiency and allocation, respectively. Estimated parameter values were found to vary with oxygen and nutrient availability. Altogether, this work (i) provides condition-specific model parameters to recapitulate phenotypes corresponding to different extracellular environments, (ii) alludes to the enhancing effect of substrate channeling and post-translational activation on in vivo enzyme efficiency in glycolysis and electron transport chain, and (iii) reveals that the Crabtree effect is underpinned by specific limitations in mitochondrial proteome capacity and secondarily ribosome availability rather than overall proteome capacity.
59 BASIC BIOLOGICAL SCIENCES↗
Comparison of Multi-Scale Nonlinear and Conventional Linear Methods for Stress Analysis of Nb 3 Sn Superconducting Magnets
Here this is an extension of the work on a multi-scale nonlinear procedure that demonstrated how to conduct nonlinear stress analysis of Nb 3 Sn superconducting accelerator magnets. The nonlinear procedure uses measured stress-strain curves of annealed copper, Nb 3 Sn strands and coil samples as inputs, which reduces the number of assumptions made for material properties—key uncertainties of any engineering analysis. The results from nonlinear analysis, semi-nonlinear analysis, and linear analysis of the same QFFB2 Nb 3 Sn quadrupole magnet under the same temperature and loads, were compared and discussed. The comparison illustrates that nonlinear stress analysis is significantly more accurate than other methods. As the superconducting coil block is a complex, composite material, it would be inadequate to assume the whole coil block to be linear, either isotropic or orthotropic. It is imperative to conduct nonlinear analysis by simulating the superconducting coil to the level of detail of the individual cables and individual strands. The nonlinear stress analysis procedure can be used to simulate not only Nb 3 Sn magnets, but also NbTi and HTS magnets.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Design Considerations and Analysis of Multi-Level Erasure Coding in Large-Scale Data Centers
Multi-level erasure coding (MLEC) has seen large deployments in the field, but there is no in-depth study of design considerations for MLEC at scale. In this paper, we provide comprehensive design considerations and analysis of MLEC at scale. We introduce the design space of MLEC in multiple dimensions, including various code parameter selections, chunk placement schemes, and various repair methods. We quantify their performance and durability, and show which MLEC schemes and repair methods can provide the best tolerance against independent/correlated failures and reduce repair network traffic by orders of magnitude. To achieve this, we use various evaluation strategies including simulation, splitting, dynamic programming, and mathematical modeling. We also compare the performance and durability of MLEC with other EC schemes such as SLEC and LRC and show that MLEC can provide high durability with higher encoding throughput and less repair network traffic over both SLEC and LRC.
Wang, Meng↗
Characterization of Uranium Foil Irradiations at the WSU TRIGA Reactor Using a New Reactor Model in Scale
A new reactor model of the Washington State University TRIGA was developed in the SCALE neutron transport code, and its fidelity was verified by comparison to MCNP and available data for several reactor parameters. The model was used to characterize irradiations designed to produce the short-lived actinides 237 U and 239 U, two key isotopes for nuclear forensics. These short-lived actinides, their decay daughters 237Np and 239Pu, and total fissions (via 99 Mo) were measured in irradiated foils at Los Alamos National Laboratory and other labs with good agreement among parent/daughter pairs and among labs. The laboratory-measured isotope ratios were used as a benchmark for the model determination of reaction rates. The flux distribution in the foils was also determined. Finally, using the continuous energy TSUNAMI-3D module of SCALE, a sensitivity/uncertainty analysis was performed to determine the effects on foil reactions caused by other system-wide reactions and by uncertainties in the known cross-sections.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Modular CO 2 Capture Processes for Integration with Modular Scale Gasification Technologies: Literature Review and Gap Analysis for Future R&D
The motivation for this report is the recent focus of the U.S. Department of Energy’s (DOE) gasification program to develop modular scale gasification processes for electricity generation and other applications. Mass-produced, modular gasification systems have been proposed to decrease the upfront capital costs and to encourage flexible deployment of advanced gasification technology using a diverse set of feedstocks. To fully realize the benefits of advanced gasification technology for power generation as well as other chemical applications, precombustion carbon dioxide (CO 2 ) capture must be considered. Therefore, the aim of this report is to assess the potential of integrating modular scale carbon capture processes with modular scale coal gasification technologies, and to help guide future research and development efforts in this area.
20 FOSSIL-FUELED POWER PLANTS↗
SCALE 6.3.1 Radiation Source Terms and Shielding Analysis for a Postulated Sodium-Cooled Fast Reactor Accident Scenario
In support of the US Nuclear Regulatory Commission non–light-water reactor fuel cycle demonstration project, SCALE 6.3.1 capabilities for radiation source term and shielding calculations are demonstrated for scenarios in the sodium-cooled fast reactor (SFR) fuel cycle. A postulated accident scenario, which consists of a seismic event causing the refueling machine to fall and release a spent fuel assembly inside the containment building (CB), is analyzed in this paper. Radiation source terms were generated for a U/TRU-10Zr metal fuel assembly with a 16.5% initial transuranic waste content and a discharge burnup of approximately 95 GWd/tHM; source terms were also generated for a high-assay low-enriched uranium metal fuel assembly (U-10Zr) with a 16.5% initial enrichment and a discharge burnup of 149.74 GWd/tHM. These radiation source terms were then used to determine the dose rate inside the CB and near the outer surface of the CB for a range of spent fuel assembly cooling times. The dose rate produced by the analyzed SFR assemblies is similar to that produced by a typical pressurized water reactor assembly with a discharge burnup of 50 GWd/MTU. Ultimately, the validation of the source terms predicted for SFRs with SCALE will need to be demonstrated via the use of assay measurements.
Radulescu, Georgeta↗
Zonal shear layer collapse and the power scaling of the density limit: old L-H wine in new bottles
Edge shear layer collapse causes edge cooling and aggravates radiative effects. This paper details on the microscopic dynamics of the emergence of power (Q) scaling of density limit (DL) from the shear layer collapse transport bifurcation scenario. The analysis is based on a novel 4-field model, which evolves turbulence energy, zonal flow energy, temperature gradient and density, including the neoclassical screening of zonal flow response. Bifurcation analysis yields power scaling of critical density for shear layer collapse as $n_{crit}\sim Q^{1/3}$. The favorable Q scaling of the DL emerges from the fact that the shear layer strength increases with Q, thus preventing shear layer collapse. This in turn reduces particle transport and improves particle confinement. RMP induced ambient stochastic fields degrade the shear layer by inducing decoherence in the Reynolds stress. As a result the particle transport increases and particle confinement degrades. This leads to the emergence of unfavorable stochastic field intensity ($b_{st}^{2}$) scaling of the critical density as $n_{crit}\sim(1+b_{st}^{2})^{-5/3}$. All fields, including zonal flow shear, exhibit hysteresis when the power (Q) is ramped cyclically across the bifurcation point. The hysteresis is due to dynamical delay in bifurcation on account of critical slowing down. Furthermore, the dynamical hysteresis here is fundamentally different from the hysteresis associated with the existence of bi-stable states.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Coupled wave-current modeling for hydrodynamic load analysis of macroalgae cultivation farms
Large-scale cultivation of macroalgae is one of the most promising biofuel sources that could reduce our consumption of fossil fuels and would be particularly economically competitive when grown for the co-production of additional goods such as food and textiles. Current production of biofuel from algal biomass is limited by labor costs and lack of data on potential impacts of cultivation and harvesting on marine and coastal environments as well as a comprehensive characterization of the impact of environmental conditions on macroalgal feedstock and their bioproduct and biofuel yield and quality. Awarded by the United States (U.S.) Department of Energy Advanced Research Projects Agency-Energy (ARPA-E) Macroalgae Research Inspiring Novel Energy Resources (MARINER) program, which seeks to enable the U.S. as a global leader in the production of marine biomass, the Marine Biological Laboratory (MBL) has been developing a test system for tropical seaweed cultivation in the Gulf of Mexico and the Caribbean. An integral step in designing macroalgae cultivation farms is to adequately characterize the hydrodynamic climate at potential growth sites. In regions like the Gulf of Mexico and the Caribbean, which are highly exposed to tropical cyclones, it is critical to not only consider the day-to-day hydrodynamic conditions but to also assess the risk of extreme sea states to ensure the survivability of future macroalgae farms. Under these considerations, the Pacific Northwest National Laboratory (PNNL) is providing modeling support for MBL to inform the design and siting of the farm systems that have been proposed for their ARPA-E MARINER project. This report describes the development of a high-resolution coupled storm surge and wave model to simulate the hydrodynamics and wave climate at proposed macroalgae cultivation sites selected by MBL in Florida and Puerto Rico. Model results, including model validation, water level, current distributions, and sea states, are discussed for both selected sites in Florida and Puerto Rico coast. These simulations provide an accurate insight into the hydrodynamic conditions that a macroalgae farm is likely to experience during its operational lifetime, including current information to support fine-scale hydrodynamic load modeling, risk analysis and system design.
09 BIOMASS FUELS↗
Multi-Scale Dynamic Modeling, and Techno-Economic Analysis of a Radial Flow Fixed Bed Contactor for Post-Combustion CO2 Capture
This presentation was delivered at the 2023 AICHE Annual Meeting. This presentation will focus on multi-scale dynamic modeling and techno-economic optimization of radial flow beds for CO2 capture. It will also compare key differences with axial flow beds.
Monteiro, Ana↗
Surface Variability Mapping and Roughness Analysis of the Moon Using a Coarse–Graining Decomposition
The lunar surface contains a wide variety of topographic shapes and features, each with different distributions and scales, and any analysis technique to objectively measure roughness must respect these qualities. Coarse-graining is a naturally scale-dependent filtering technique that preserves scale-dependent symmetries and produces coarse elevation maps that gradually erase the smaller features from the original topography. In this study of the lunar surface, we present two surface variability metrics obtained from coarse-graining lunar topography: fine elevation and coarse curvature. Both metrics are isotropic, deterministic, slope-independent, and coordinate-agnostic. Fine (detrended) elevation is acquired by subtracting the coarse elevation from the original topography and contains features that are smaller than the coarse-graining length-scale. Coarse curvature is the Laplacian of coarsened topography, and naturally quantifies the curvature at any scale and indicates whether a location is elevated or depressed relative to its neighborhood at that scale. We find that highlands and maria have distinct roughness characteristics at all length-scales. Our topographic spectra reveal four scale-breaks that mark characteristic shifts in surface roughness: 100, 300, 1,000, and 4,000 km. Comparing fine elevation distributions between maria and highlands, we show that maria fine elevation is biased toward smaller-magnitude elevations and that the maria–highland discrepancies are more pronounced at larger length-scales. Here, we also provide local examples of selected regions to demonstrate that these metrics can successfully distinguish geological features of different length-scales.
58 GEOSCIENCES↗
Geomechanical and Hydrogeological Evaluation of a Shallow Hydraulic Fracture at the Devine Fracture Pilot Site, Medina County, Texas
UT-Austin’s Devine Fracture Pilot Site, 50 miles southwest of San Antonio, Texas, has been targeted for a comprehensive, multidisciplinary development of fracture diagnostic techniques that are cross-validated by ground-truth data acquisition near a recently created, 175-ft-deep, horizontal hydraulic fracture (Ahmadian et al. 2018 Demonstration of proof of concept of electromagnetic geophysical methods for high resolution illumination of induced fracture networks. In Proceedings of the SPE Hydraulic Fracturing Technology Conference and Exhibition, The Woodlands, Texas, USA, 23–25 January 2018. SPE-189858-MS.). To evaluate the fracture diagnostic methods at this site, we conducted injection tests with a predefined volumetric flow-rate profile, resembling a diagnostic fracture injection test on September 2020. Subsequently, we developed hydrogeological and geomechanical models based on flow-rate and bottomhole-pressure measurements. History-matching efforts using a simplified layer-cake hydrogeological model resulted in the field-scale formation permeability of 9.87 × 10 –15 m 2 (10 mD) and Darcy-scale fracture permeability. The analysis of the bottomhole pressure and injection-rate history showed that (1) the newly created horizontal fracture was closed adjacent to the injection well pre-injection and (2) the initial pump-pressure increase at a nominal volumetric injection rate led to near-well fracture reopening, fluid conductivity increase, and abrupt injection-rate increase. To overcome hydrogeological-model limitations of predicting fracture reopening throughout injection, we extended the modeling to a finite-element, poroelastic analysis of horizontal-fracture growth using a cohesive-zone model. Using this fracture-reopening model, we improved the history match of the transient-pressure response during the experiment by adjusting the hydromechanical properties. Furthermore, post-injection pressure transient analyses helped reduce uncertainty in the overburden-stress gradient, and the initial hydraulic-fracturing simulation verified the plausibility of achieving the surveyed propped fracture area.
02 PETROLEUM↗
FasTensor (FT) v0.0.1
The FasTensor implements the native array data programming mode namely SLOPE for modern data analysis tasks. It is designed to work in parallel on supercomputer and can handle terabyte data analysis tasks. It is thousand times faster than other data analysis systems such as Apache Spark and 38% faster than TensorFlow in dealing with large scale scientific data analysis. It has wide applications in image data analysis and mesh data analysis tasks in physical simulations and other fields.
Wu, Kesheng↗
Dynamics of Subsiding Shells in Actively Growing Clouds with Vertical Updrafts
The dynamics of a subsiding shell at the edges of actively growing shallow cumulus clouds with updrafts is analyzed using direct numerical simulation. The actively growing clouds have a fixed in-cloud buoyancy and velocity. Turbulent mixing and evaporative cooling at the cloud edges generate a subsiding shell that grows with time. A self-similar regime is observed for first- and second-order moments when normalized with respective maximum values. Internal scales derived from integral properties of the flow problem are identified. A self-similarity analysis using these scales reveals that contrary to classical self-similar flows, the turbulent kinetic energy budget terms and velocity moments scale according to the buoyancy and not with the mean velocity. The shell thickness is observed to increase linearly with time. The buoyancy scale remains time invariant and is set by the initial cloud–environment thermodynamics. The shell accelerates ballistically with a magnitude set by the saturation value of the buoyancy of the cloud–environment mixture. In this regime, the shell is buoyancy driven and independent of the in-cloud velocity. Relations are obtained for predicting the shell thickness and minimum velocities by linking the internal scales with external flow parameters. The values thus calculated are consistent with the thickness and velocities observed in typical shallow cumulus clouds. The entrainment coefficient is a function of the initial state of the cloud and the environment, and is shown to be on the same order of magnitude as fractional entrainment rates calculated for large-scale models.
54 ENVIRONMENTAL SCIENCES↗